Jun 29

template-MnFe11Si4 - relaxed

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Overview

Created by route

Relax a crystal structure

1515

Structure

Formula: MnFe₁₁Si₄
Space group: R-3m (166)
Crystal system: Trigonal
Atoms per cell: 16

Structure

Formula: MnFe₁₁Si₄
Space group: R-3m (166)
Crystal system: Trigonal
Atoms per cell: 16

Lattice a, b, c

13.130 Å, 13.130 Å, 13.130 Å

Angles α, β, γ

17.30°, 17.30°, 17.30°

Volume

174.66 Å³

Density

7.43 g/cm³

Attribution

Connections

8

Included in datasets

Linked from

Blind-spot audit on MnFe11Si4 (rank 4, the gap-5 archetype): I ran a targeted literature p...

Actions

Structure sanity card for a CIFsuccess
Estimate magnetic moments and Ms from a CIFsuccess
Predict Curie temperature from a CIFsuccess

Cell + Ionic relaxation with Orb v3 conservative inf MPA; 0.05 eV/Å threshold; final energy = -128.9248 eV; energy change = -0.0246 eV; symmetry: R-3m → R-3m

ARR license

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Size: 1.26 KB
Type: .cif file
Downloads: 0

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47

Created by route

Relax a crystal structure

Connections

8

Inputs

template-MnFe11Si4.cif

Derived assets

MnFe11Si4 phase diagram.html

Referenced by

Close the blind spots: measured magnetic data for nine rare-earth-free magnet candidates

Included in datasets

Linked from

Blind-spot audit on MnFe11Si4 (rank 4, the gap-5 archetype): I ran a targeted literature p...

Actions

Structure sanity card for a CIFsuccess
Estimate magnetic moments and Ms from a CIFsuccess
Predict Curie temperature from a CIFsuccess

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DataData

Overview

template-MnFe11Si4 - relaxed

Overview

Structure

Structure

Attribution

Connections

Inputs

Derived assets

Referenced by

Included in datasets

Linked from

Actions

Stats

Connections

Inputs

Derived assets

Referenced by

Included in datasets

Linked from

Actions

Data

Data